4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one

C14H14N4O3 — CID 10379234

IUPAC4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(OCC(O)Cn2ccnc2)c2ccccc12
InChIInChI=1S/C14H14N4O3/c19-10(7-18-6-5-15-9-18)8-21-14-12-4-2-1-3-11(12)13(20)16-17-14/h1-6,9-10,19H,7-8H2,(H,16,20)
InChIKeyIJVMWZDJFOAVGM-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.56
Rot. Bonds5

About 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one

4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one (PubChem CID 10379234) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one
PubChem CID10379234
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(OCC(O)Cn2ccnc2)c2ccccc12
InChIInChI=1S/C14H14N4O3/c19-10(7-18-6-5-15-9-18)8-21-14-12-4-2-1-3-11(12)13(20)16-17-14/h1-6,9-10,19H,7-8H2,(H,16,20)
InChIKeyIJVMWZDJFOAVGM-UHFFFAOYSA-N
XLogP0.56
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-hydroxy-3-(methylamino)propoxy]-2H-phthalazin-1-one
CID 10332286
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
CID 714826
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 168526584
1-carbazol-9-yl-3-imidazol-1-ylpropan-2-ol;ethane
CID 144822333

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one?
The IUPAC name of 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one (CID 10379234) is 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one?
The canonical SMILES for 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one is O=c1[nH]nc(OCC(O)Cn2ccnc2)c2ccccc12.
What is the InChIKey of 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one?
The InChIKey is IJVMWZDJFOAVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-10(7-18-6-5-15-9-18)8-21-14-12-4-2-1-3-11(12)13(20)16-17-14/h1-6,9-10,19H,7-8H2,(H,16,20).
What are the key properties of 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one?
4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one has a molecular weight of 286.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-imidazol-1-ylpropoxy)-2H-phthalazin-1-one is sourced from PubChem (CID 10379234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).